All-electron GW calculation of the electronic structure in light-element-doped TiO2

Conference presentation

Creator

Ryoji Sahara (author) (Search by this author)

https://orcid.org/0000-0003-0788-2985

Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group, National Institute for Materials Science

NIMS Researchers Directory SAMURAI

Ryoji Sahara ;

Takashi Ishikawa (author) (Search by this author)

Tohoku University

Takashi Ishikawa ;

Kaoru Ohno (author) (Search by this author)

Yokohama National University

Kaoru Ohno ;

Kyosuke Ueda (author) (Search by this author)

Tohoku University

Kyosuke Ueda ;

Takayuki Narushima (author) (Search by this author)

Tohoku University

Takayuki Narushima

Keyword

All-electron GW calculation, C/N doped anatase TiO2, band gap narrowing, first-principles calculations

Date published

Updated at

2025-12-10 16:30:22 +0900